EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114458 - 3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one

ChEBI IDCHEBI:114458
ChEBI Name3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one
Stars
DownloadsMolfile
FormulaC24H23N3O6S
Net Charge0
Average Mass481.530
Monoisotopic Mass481.13076
SMILESO=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)nc2c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C24H23N3O6S/c28-21(26-7-5-24(6-8-26)32-9-10-33-24)16-2-3-17-18(12-16)25-23(34)27(22(17)29)13-15-1-4-19-20(11-15)31-14-30-19/h1-4,11-12H,5-10,13-14H2,(H,25,34)
InChIKeyWPTFCTBFOOQKHH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one (CHEBI:114458) is a N-acylpiperidine (CHEBI:48591)
Manual XrefsDatabases
LSM-25919LINCS